naphthalene-1-carboximidamide

• ChemBase ID: 812884
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: c1cc2c(cc1)cccc2C(=N)N
• Canonical SMILES: NC(=N)c1cccc2c1cccc2
• InChI: InChI=1S/C11H10N2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13)
• InChIKey: MELCHBVBYGSSOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-1-carboximidamide
• IUPAC Traditional name: naphthalene-1-carboximidamide
• Synonyms: NAPHTHALENE-1-CARBOXAMIDINE

Database IDs

• CAS Number: 14805-64-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5321255
• LogD (pH = 7.4): -0.52110887
• Log P: 1.883191
• Molar Refractivity: 64.1807 cm^3
• Polarizability: 21.633726 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%